CID 263471

Wg dipeptide

Structural Information

Molecular Formula

C₁₃H₁₅N₃O₃

SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC(=O)O)N

InChI

InChI=1S/C13H15N3O3/c14-10(13(19)16-7-12(17)18)5-8-6-15-11-4-2-1-3-9(8)11/h1-4,6,10,15H,5,7,14H2,(H,16,19)(H,17,18)

InChIKey

UYKREHOKELZSPB-UHFFFAOYSA-N

Compound name

2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 19
References: 2586
Patents: 261.11133 Da
Monoisotopic Mass: -2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	262.11861	158.4
[M+Na]+	284.10055	166.0
[M+NH4]+	279.14515	163.5
[M+K]+	300.07449	164.7
[M-H]-	260.10405	157.8
[M+Na-2H]-	282.08600	160.9
[M]+	261.11078	158.6
[M]-	261.11188	158.6

Literature stripe

literature stripe

Patent stripe

patents stripe